Reproducibility package — Coupled Reactive Transport Modeling of Formation Damage during Brine Re-Injection (Bruchsal case study)

Companion dataset and code for the M.Sc. thesis "Coupled Reactive Transport Modeling of Formation Damage during Brine Re-Injection — examples of Direct Lithium Extraction (DLE) and Geothermal operations" (TU Bergakademie Freiberg, Groundwater Management, 2026). The package contains everything needed to reproduce the coupled OpenGeoSys–PHREEQC simulations, the PHREEQC batch studies, and the analysis behind the tables and figures of the thesis: the four OpenGeoSys project files and meshes of the Bruchsal re-injection scenarios; the PHREEQC Pitzer database used (with its single modification documented); the source-code patches and a snapshot of the patched OpenGeoSys build; the PHREEQC decks that construct the post-DLE injection brine and the (Ba,Sr)SO4 solid-solution studies; the digitized core-flooding dataset (441 points from 22 experiments); a representative subset of the simulation output (VTU); and the Python scripts that generate every table and figure. See README.md for the full manifest and reproduction instructions.